CID 6889192

478675-41-1

Structural Information

Molecular Formula
C17H17N5O2
SMILES
COC1=CC=CC(=C1)/C=N/NC(=O)CCN2C3=CC=CC=C3N=N2
InChI
InChI=1S/C17H17N5O2/c1-24-14-6-4-5-13(11-14)12-18-20-17(23)9-10-22-16-8-3-2-7-15(16)19-21-22/h2-8,11-12H,9-10H2,1H3,(H,20,23)/b18-12+
InChIKey
YKQMXHZRBRBMMG-LDADJPATSA-N
Compound name
3-(benzotriazol-1-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

323.1382 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14548 173.7
[M+Na]+ 346.12742 181.8
[M-H]- 322.13092 179.1
[M+NH4]+ 341.17202 186.4
[M+K]+ 362.10136 177.2
[M+H-H2O]+ 306.13546 162.8
[M+HCOO]- 368.13640 198.4
[M+CH3COO]- 382.15205 213.1
[M+Na-2H]- 344.11287 180.7
[M]+ 323.13765 178.1
[M]- 323.13875 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.